SCHEMBL75674

SCHEMBL75674

CC(N)(CN)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.47
PNMT P11086 2/20 0.44
TAAR1 Q96RJ0 3/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CYP19A1 P11511 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14991287 0.82 TAAR1 (0.57) KIF11PNMTTAAR1SCN5ASCN9A
SCHEMBL5575375 0.81 KIF11 (0.45) KIF11PNMTTAAR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL8507689 0.81 TAAR1 (0.55) KIF11PNMTTAAR1SCN5ASCN9A
SCHEMBL1859294 0.79 KIF11 (0.44) KIF11PNMTTAAR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL27076803 0.79 KIF11 (0.40) KIF11PNMTSCN5ASCN9APKM
Hydrochloric Acid SCHEMBL29949230 0.79 KIF11 (0.40) KIF11PNMTSCN5ASCN9APKM
Hydrochloric Acid SCHEMBL26965558 0.79 KIF11 (0.40) KIF11PNMTSCN5ASCN9APKM
SCHEMBL5305709 0.79 KIF11 (0.54) KIF11PNMTTAAR1PKMHTR2A
Hydrochloric Acid SCHEMBL16321424 0.78 KIF11 (0.43) KIF11PNMTTAAR1SCN5ASCN9A
SCHEMBL17047155 0.78 CYP2C19 (0.47) KIF11SCN5ASCN9APKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN disclosed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 KIF11 1715/4885PNMT 4845/4885TAAR1 4265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.